2-tert-butyl-1,5-difluoro-3-(methoxymethyl)benzene

C12H16F2O — CID 176702858

IUPAC2-tert-butyl-1,5-difluoro-3-(methoxymethyl)benzene
SMILESCOCc1cc(F)cc(F)c1C(C)(C)C
InChIInChI=1S/C12H16F2O/c1-12(2,3)11-8(7-15-4)5-9(13)6-10(11)14/h5-6H,7H2,1-4H3
InChIKeyBZSZQAQZPPETNV-UHFFFAOYSA-N
MW214.25 g/mol
LogP3.41
Rot. Bonds2

About 2-tert-butyl-1,5-difluoro-3-(methoxymethyl)benzene

2-tert-butyl-1,5-difluoro-3-(methoxymethyl)benzene (PubChem CID 176702858) has the molecular formula C12H16F2O and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-tert-butyl-1,5-difluoro-3-(methoxymethyl)benzene.

Molecular Properties

Compound Name2-tert-butyl-1,5-difluoro-3-(methoxymethyl)benzene
PubChem CID176702858
Molecular FormulaC12H16F2O
Molecular Weight214.25 g/mol
Exact Mass214.12
IUPAC Name2-tert-butyl-1,5-difluoro-3-(methoxymethyl)benzene
SMILESCOCc1cc(F)cc(F)c1C(C)(C)C
InChIInChI=1S/C12H16F2O/c1-12(2,3)11-8(7-15-4)5-9(13)6-10(11)14/h5-6H,7H2,1-4H3
InChIKeyBZSZQAQZPPETNV-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-1,5-difluoro-3-(methoxymethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-tert-butyl-3,5-difluorophenyl)methanol
CID 166835720
1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117355423
2-tert-butyl-3,5-difluorophenol
CID 118328413
3,6-ditert-butyl-4-(methoxymethyl)benzene-1,2-diol
CID 2864582
2-tert-butyl-1-(methoxymethyl)-5-methyl-3-(2-methylbutan-2-yl)benzene;ethane
CID 177164254
2-methyl-2-(2,4,6-trifluorophenyl)propan-1-amine
CID 83412673
N-(2-methoxyethyl)-3-methyl-3-(2,4,6-trifluorophenyl)butan-1-amine
CID 79830845
2-[4-fluoro-3-(methoxymethyl)phenyl]propan-2-ol
CID 117287840
4-fluoro-2-(methoxymethyl)aniline;hydrochloride
CID 75481190
[5-fluoro-2-(methoxymethyl)phenyl]methanamine
CID 63289386
3-[4-fluoro-2-(methoxymethyl)phenyl]propan-1-amine
CID 117287231
4-fluoro-2-(methoxymethyl)benzenesulfonamide
CID 83271454

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,5-difluoro-3-(methoxymethyl)benzene?
The IUPAC name of 2-tert-butyl-1,5-difluoro-3-(methoxymethyl)benzene (CID 176702858) is 2-tert-butyl-1,5-difluoro-3-(methoxymethyl)benzene.
What is the SMILES notation for 2-tert-butyl-1,5-difluoro-3-(methoxymethyl)benzene?
The canonical SMILES for 2-tert-butyl-1,5-difluoro-3-(methoxymethyl)benzene is COCc1cc(F)cc(F)c1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1,5-difluoro-3-(methoxymethyl)benzene?
The InChIKey is BZSZQAQZPPETNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-12(2,3)11-8(7-15-4)5-9(13)6-10(11)14/h5-6H,7H2,1-4H3.
What are the key properties of 2-tert-butyl-1,5-difluoro-3-(methoxymethyl)benzene?
2-tert-butyl-1,5-difluoro-3-(methoxymethyl)benzene has a molecular weight of 214.25 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,5-difluoro-3-(methoxymethyl)benzene is sourced from PubChem (CID 176702858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).